N-benzyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C15H13N3O3S2 — CID 45106660

IUPACN-benzyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)s2)n[nH]1
InChIInChI=1S/C15H13N3O3S2/c19-14-8-6-12(17-18-14)13-7-9-15(22-13)23(20,21)16-10-11-4-2-1-3-5-11/h1-9,16H,10H2,(H,18,19)
InChIKeyIGWKEBMBDYKUGF-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.98
Rot. Bonds5

About N-benzyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-benzyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 45106660) has the molecular formula C15H13N3O3S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-benzyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID45106660
Molecular FormulaC15H13N3O3S2
Molecular Weight347.42 g/mol
Exact Mass347.04
IUPAC NameN-benzyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)s2)n[nH]1
InChIInChI=1S/C15H13N3O3S2/c19-14-8-6-12(17-18-14)13-7-9-15(22-13)23(20,21)16-10-11-4-2-1-3-5-11/h1-9,16H,10H2,(H,18,19)
InChIKeyIGWKEBMBDYKUGF-UHFFFAOYSA-N
XLogP1.98
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-benzyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 45106660) is N-benzyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)s2)n[nH]1.
What is the InChIKey of N-benzyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is IGWKEBMBDYKUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S2/c19-14-8-6-12(17-18-14)13-7-9-15(22-13)23(20,21)16-10-11-4-2-1-3-5-11/h1-9,16H,10H2,(H,18,19).
What are the key properties of N-benzyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-benzyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 347.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 45106660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).